Compound Detail
CHEMBL368786
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Basic Information
| ChEMBL ID | CHEMBL368786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJWGPYCAVBVVHJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.9
MW (Da)
3.79
ALogP
7
HBA
3
HBD
83.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.15 | 6.15 | 708.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.09 | 5.09 | 8080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 708.0 | nM | 6.15 | Inhibition of human vascular endothelial growth factor receptor 2 | 15771433 |
| Cyclin-dependent kinase 1 | IC50 | = | 8080.0 | nM | 5.09 | Inhibition of human cyclin-dependent kinase 1 | 15771433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771433 | 10.1021/jm040099a | Vascular endothelial growth factor receptor 2 | 1 |
| 15771433 | 10.1021/jm040099a | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine